Monomers

3-Methoxycarbonylbut-3-enoate

Identifiers

IUPAC name
3-methoxycarbonylbut-3-enoate
InchI
InChI=1S/C6H8O4/c1-4(3-5(7)8)6(9)10-2/h1,3H2,2H3,(H,7,8)/p-1
InchI Key
KBFJHOCTSIMQKL-UHFFFAOYSA-M
SMILES
[O-]C(=O)CC(=C)C(=O)OC
Canonical SMILES
COC(=O)C(=C)CC(=O)[O-]
Isomeric SMILES
COC(=O)C(=C)CC(=O)[O-]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7O4-
Heavy Atom Count
10
Molecular Weight
143.118
Exact Molecular Weight
143.035
Valence Electrons
56
Radical Electrons
0
tPSA
66.43
MolLogP
-1.1444
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -1.9130    2.0473   -2.5155 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.3041    1.0828   -1.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080    0.2482   -2.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6216    1.0730   -0.2512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -0.0242    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5454   -0.9723    1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5858   -0.0165    0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1914    0.9163   -0.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687   -1.0084    0.9046 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7764   -0.9333    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    2.0289    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7040    1.0178   -0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0328   -1.8093    1.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6214   -0.9724    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427   -1.9405    0.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076   -0.3508   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1231   -0.3866    1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
 10 15  1  0
 10 16  1  0
 10 17  1  0
M  CHG  1   1  -1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers